(3-methoxypyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone

C12H18N4O3 — CID 103532991

IUPAC(3-methoxypyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESCOC1CCN(C(=O)c2noc(C3CCCN3)n2)C1
InChIInChI=1S/C12H18N4O3/c1-18-8-4-6-16(7-8)12(17)10-14-11(19-15-10)9-3-2-5-13-9/h8-9,13H,2-7H2,1H3
InChIKeySLGLQLZBMZQPNO-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.35
Rot. Bonds3

About (3-methoxypyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone

(3-methoxypyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone (PubChem CID 103532991) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3-methoxypyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name(3-methoxypyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
PubChem CID103532991
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name(3-methoxypyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESCOC1CCN(C(=O)c2noc(C3CCCN3)n2)C1
InChIInChI=1S/C12H18N4O3/c1-18-8-4-6-16(7-8)12(17)10-14-11(19-15-10)9-3-2-5-13-9/h8-9,13H,2-7H2,1H3
InChIKeySLGLQLZBMZQPNO-UHFFFAOYSA-N
XLogP0.35
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-methoxypyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
The IUPAC name of (3-methoxypyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone (CID 103532991) is (3-methoxypyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone.
What is the SMILES notation for (3-methoxypyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
The canonical SMILES for (3-methoxypyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone is COC1CCN(C(=O)c2noc(C3CCCN3)n2)C1.
What is the InChIKey of (3-methoxypyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
The InChIKey is SLGLQLZBMZQPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-18-8-4-6-16(7-8)12(17)10-14-11(19-15-10)9-3-2-5-13-9/h8-9,13H,2-7H2,1H3.
What are the key properties of (3-methoxypyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
(3-methoxypyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone has a molecular weight of 266.30 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone is sourced from PubChem (CID 103532991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).